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{
"id": "jvasp-9505",
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"updated_at": "2022-09-04T14:37:15.414016Z",
"structure_string": "Sr4 Fe2 S2 O6\n1.0\n3.971774 0.000000 0.000000\n0.000000 3.971774 0.000000\n0.000000 -0.000000 13.475236\nSr Fe S O\n4 2 2 6\ndirect\n0.000000 0.500000 0.860608 Sr\n0.500000 0.000000 0.139393 Sr\n0.000000 0.500000 0.600394 Sr\n0.500000 0.000000 0.399606 Sr\n0.500000 0.000000 0.724800 Fe\n0.000000 0.500000 0.275200 Fe\n0.500000 0.000000 0.905177 S\n0.000000 0.500000 0.094823 S\n0.500000 0.500000 0.727263 O\n0.000000 0.000000 0.727263 O\n0.000000 0.000000 0.272737 O\n0.500000 0.500000 0.272737 O\n0.500000 0.000000 0.583545 O\n0.000000 0.500000 0.416455 O\n",
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{
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"structure_string": "V4 Zn2 O8\n1.0\n2.839429 -0.000000 0.000000\n-1.419714 4.818095 -0.000000\n-0.000000 -0.000000 9.984963\nV Zn O\n4 2 8\ndirect\n0.871174 0.742347 0.071715 V\n0.128828 0.257654 0.928285 V\n0.871174 0.742347 0.428285 V\n0.128828 0.257654 0.571715 V\n0.381934 0.763866 0.750000 Zn\n0.618068 0.236135 0.250000 Zn\n0.227784 0.455566 0.387231 O\n0.772219 0.544435 0.612768 O\n0.772219 0.544435 0.887231 O\n0.227784 0.455566 0.112768 O\n0.961824 0.923645 0.250000 O\n0.038178 0.076356 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:37:26.667957Z",
"updated_at": "2022-09-04T14:37:26.667986Z",
"structure_string": "Na4 Mn2 O8\n1.0\n2.888390 -5.002839 -0.000000\n2.888390 5.002839 -0.000000\n-0.000000 0.000000 6.668507\nNa Mn O\n4 2 8\ndirect\n0.666667 0.333333 0.398785 Na\n0.333333 0.666667 0.898785 Na\n0.000000 0.000000 0.505260 Na\n0.000000 0.000000 0.005260 Na\n0.666667 0.333333 0.830356 Mn\n0.333333 0.666667 0.330356 Mn\n0.822966 0.177034 0.743884 O\n0.177034 0.354066 0.243884 O\n0.645934 0.822966 0.243884 O\n0.354066 0.177034 0.743884 O\n0.822966 0.645934 0.743884 O\n0.177034 0.822966 0.243884 O\n0.333333 0.666667 0.573943 O\n0.666667 0.333333 0.073943 O\n",
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{
"id": "jvasp-34822",
"created_at": "2022-09-04T14:37:10.456145Z",
"updated_at": "2022-09-04T14:37:10.456155Z",
"structure_string": "Bi2 Pd4 O8\n1.0\n6.756427 0.000000 -0.000000\n-0.000000 6.756427 0.000000\n-0.000000 -0.000000 4.561203\nBi Pd O\n2 4 8\ndirect\n0.000000 0.500000 0.496795 Bi\n0.500000 0.000000 0.503205 Bi\n0.750000 0.750000 0.000000 Pd\n0.750000 0.250000 0.000000 Pd\n0.250000 0.750000 0.000000 Pd\n0.250000 0.250000 0.000000 Pd\n0.278313 0.500000 0.772398 O\n0.500000 0.721688 0.227602 O\n0.000000 0.778313 0.772398 O\n0.778313 0.000000 0.227602 O\n0.221687 0.000000 0.227602 O\n0.721688 0.500000 0.772398 O\n0.500000 0.278313 0.227602 O\n0.000000 0.221687 0.772398 O\n",
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"formula_full": "Bi2 Pd4 O8",
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{
"id": "jvasp-25440",
"created_at": "2022-09-04T14:37:30.556875Z",
"updated_at": "2022-09-04T14:37:30.556903Z",
"structure_string": "Nb6 Te6 As2\n1.0\n5.250471 -9.094083 0.000000\n5.250471 9.094083 0.000000\n0.000000 0.000000 3.614554\nNb Te As\n6 6 2\ndirect\n0.495993 0.874631 0.250000 Nb\n0.125368 0.621360 0.250000 Nb\n0.504007 0.125368 0.749999 Nb\n0.378640 0.504007 0.250000 Nb\n0.874631 0.378640 0.749999 Nb\n0.621360 0.495993 0.749999 Nb\n0.051462 0.328190 0.250000 Te\n0.948538 0.671810 0.749999 Te\n0.723272 0.051462 0.749999 Te\n0.671810 0.723272 0.250000 Te\n0.328190 0.276728 0.749999 Te\n0.276728 0.948538 0.250000 Te\n0.666667 0.333333 0.250000 As\n0.333333 0.666667 0.749999 As\n",
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"volume": 345.1770324147581,
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{
"id": "jvasp-58163",
"created_at": "2022-09-04T14:37:10.428997Z",
"updated_at": "2022-09-04T14:37:10.429026Z",
"structure_string": "Ba1 Ca1 Ag4 O8\n1.0\n2.910967 -5.041943 0.000000\n2.910967 5.041943 0.000000\n-0.000000 -0.000000 7.619377\nBa Ca Ag O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333334 0.666667 0.731453 Ag\n0.666667 0.333334 0.731453 Ag\n0.333334 0.666667 0.268547 Ag\n0.666667 0.333334 0.268547 Ag\n0.295819 0.295819 0.703391 O\n0.704181 0.000001 0.703391 O\n0.000001 0.704181 0.703391 O\n0.704182 0.704182 0.296610 O\n0.000000 0.295819 0.296610 O\n0.295819 0.000000 0.296610 O\n0.333334 0.666667 0.000000 O\n0.666667 0.333334 0.000000 O\n",
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"formula_full": "Ba1 Ca1 Ag4 O8",
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{
"id": "jvasp-10548",
"created_at": "2022-09-04T14:37:10.438976Z",
"updated_at": "2022-09-04T14:37:10.439002Z",
"structure_string": "Ba4 Na1 B3 N6\n1.0\n6.491459 -0.000000 -2.295077\n-3.245729 5.621768 -2.295077\n-0.000000 -0.000000 6.885232\nBa Na B N\n4 1 3 6\ndirect\n-0.000000 0.500000 -0.000000 Ba\n0.500000 0.000000 -0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 -0.000000 B\n0.500000 0.000000 0.500000 B\n-0.000000 0.500000 0.500000 B\n-0.000000 0.670080 0.670079 N\n0.329920 0.329920 -0.000000 N\n-0.000000 0.329920 0.329920 N\n0.329920 0.000000 0.329920 N\n0.670080 0.000000 0.670079 N\n0.670080 0.670080 -0.000000 N\n",
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{
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"created_at": "2022-09-04T14:37:15.527676Z",
"updated_at": "2022-09-04T14:37:15.527726Z",
"structure_string": "Li6 Sb2 S6\n1.0\n6.925017 2.280027 2.479848\n1.737712 7.080593 2.479839\n1.737701 1.877707 7.263514\nLi Sb S\n6 2 6\ndirect\n0.090833 0.365816 0.686005 Li\n0.313994 0.909167 0.634184 Li\n0.365816 0.686006 0.090833 Li\n0.634184 0.313995 0.909167 Li\n0.686006 0.090833 0.365816 Li\n0.909167 0.634184 0.313994 Li\n0.181404 0.181404 0.181404 Sb\n0.818596 0.818596 0.818596 Sb\n0.039414 0.766860 0.429869 S\n0.233139 0.570132 0.960585 S\n0.429869 0.039415 0.766860 S\n0.570131 0.960586 0.233140 S\n0.766860 0.429869 0.039414 S\n0.960586 0.233140 0.570131 S\n",
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{
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"created_at": "2022-09-04T14:37:15.535129Z",
"updated_at": "2022-09-04T14:37:15.535154Z",
"structure_string": "Mg2 Mn4 S8\n1.0\n7.023806 0.002119 0.002678\n3.510642 6.200919 -0.000032\n3.508587 1.879520 5.909955\nMg Mn S\n2 4 8\ndirect\n0.000001 -0.000004 0.999998 Mg\n-0.000008 0.500003 0.500015 Mg\n-0.000002 -0.000002 0.500007 Mn\n0.499991 0.000010 0.000010 Mn\n0.499998 0.999996 0.500009 Mn\n0.500003 0.499998 0.499993 Mn\n0.746312 0.225079 0.282211 S\n0.758702 0.238552 0.738483 S\n0.746398 0.782215 0.725086 S\n0.735747 0.761518 0.261457 S\n0.253593 0.217788 0.274938 S\n0.241290 0.761451 0.261525 S\n0.264250 0.238480 0.738554 S\n0.253692 0.774909 0.717795 S\n",
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{
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"updated_at": "2022-09-04T14:37:15.620739Z",
"structure_string": "K6 Si2 Te6\n1.0\n8.042167 0.007927 -2.192684\n-3.470627 7.254741 -2.192684\n0.011874 0.018864 8.850473\nK Si Te\n6 2 6\ndirect\n0.793136 0.793136 0.325027 K\n0.500000 0.000000 0.000000 K\n0.656249 0.343751 0.500000 K\n0.343751 0.656248 0.500000 K\n-0.000000 0.500000 0.000000 K\n0.206863 0.206863 0.674974 K\n0.891457 0.891457 0.859846 Si\n0.108542 0.108542 0.140155 Si\n0.366466 0.366466 0.121575 Te\n0.633533 0.633533 0.878426 Te\n0.945493 0.251606 0.300140 Te\n0.748394 0.054507 0.699861 Te\n0.054506 0.748394 0.699860 Te\n0.251605 0.945493 0.300140 Te\n",
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{
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"created_at": "2022-09-04T14:37:10.371516Z",
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"structure_string": "Hg6 S4 F4\n1.0\n6.725481 0.000000 -2.377816\n-3.362740 5.824438 -2.377816\n-0.000000 -0.000000 7.133450\nHg S F\n6 4 4\ndirect\n0.750000 0.921507 0.171506 Hg\n0.328494 0.250000 0.578493 Hg\n0.578494 0.328494 0.250000 Hg\n0.171507 0.750000 0.921506 Hg\n0.921506 0.171507 0.749999 Hg\n0.250000 0.578494 0.328493 Hg\n0.919924 0.500000 -0.000001 S\n0.500000 0.000000 0.919924 S\n0.580076 0.580076 0.580075 S\n0.000000 0.919925 0.500000 S\n0.431963 0.500000 -0.000000 F\n0.500000 0.000000 0.431962 F\n0.000000 0.431963 0.500000 F\n0.068037 0.068037 0.068037 F\n",
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{
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"structure_string": "Zn2 Rh4 O8\n1.0\n5.261725 0.000000 3.037858\n1.753908 4.960802 3.037858\n0.000000 0.000000 6.075716\nZn Rh O\n2 4 8\ndirect\n0.875001 0.875000 0.875001 Zn\n0.125000 0.125000 0.125000 Zn\n0.500001 0.500000 0.000000 Rh\n0.500001 0.500000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 -0.000000 0.500000 Rh\n0.739492 0.739491 0.739492 O\n0.260509 0.260509 0.718476 O\n0.260509 0.718475 0.260509 O\n0.718476 0.260509 0.260509 O\n0.739492 0.281525 0.739492 O\n0.281526 0.739491 0.739492 O\n0.260509 0.260509 0.260509 O\n0.739492 0.739491 0.281525 O\n",
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]
}